1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol

C9H18O2 — CID 101141165

IUPAC1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol
SMILESCC[C@@H]1O[C@H](C(C)O)C1(C)C
InChIInChI=1S/C9H18O2/c1-5-7-9(3,4)8(11-7)6(2)10/h6-8,10H,5H2,1-4H3/t6?,7-,8+/m0/s1
InChIKeyOLGRKTAOJCCVMN-ZHFSPANRSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds2

About 1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol

1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol (PubChem CID 101141165) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol
PubChem CID101141165
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol
SMILESCC[C@@H]1O[C@H](C(C)O)C1(C)C
InChIInChI=1S/C9H18O2/c1-5-7-9(3,4)8(11-7)6(2)10/h6-8,10H,5H2,1-4H3/t6?,7-,8+/m0/s1
InChIKeyOLGRKTAOJCCVMN-ZHFSPANRSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol?
The IUPAC name of 1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol (CID 101141165) is 1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol.
What is the SMILES notation for 1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol?
The canonical SMILES for 1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol is CC[C@@H]1O[C@H](C(C)O)C1(C)C.
What is the InChIKey of 1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol?
The InChIKey is OLGRKTAOJCCVMN-ZHFSPANRSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-7-9(3,4)8(11-7)6(2)10/h6-8,10H,5H2,1-4H3/t6?,7-,8+/m0/s1.
What are the key properties of 1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol?
1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-ethyl-3,3-dimethyloxetan-2-yl]ethanol is sourced from PubChem (CID 101141165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).